Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.3404 8.5629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6860 8.9395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0315 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7187 7.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9621 7.9085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 8.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2766 6.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6223 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0423 9.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 9.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9631 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3034 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6439 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9843 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3248 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0055 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3460 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6863 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0268 7.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 7.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3757 6.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 6.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0445 5.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3868 5.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7254 5.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0677 5.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4062 5.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7485 5.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4294 5.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7678 5.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1102 5.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 5.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3716 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7121 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0524 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3929 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0738 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4141 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7546 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0950 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7758 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1161 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4567 8.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7970 8.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4011 10.7305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5594 10.9712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7125 10.7493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2747 11.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1164 11.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7250 11.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6625 10.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0747 10.9202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 11.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9634 11.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1816 11.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2052 11.0055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3635 11.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5166 11.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0788 11.7824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9205 11.5419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5291 11.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4667 10.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8789 11.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0690 12.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7675 11.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9857 12.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0035 10.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1618 10.6526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3149 10.4308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8771 11.1889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7189 10.9484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3274 11.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2650 10.2730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6772 10.6017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 10.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5658 11.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7840 11.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1465 10.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4390 9.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7652 10.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8018 9.8185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9601 10.0592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1132 9.8373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6755 10.5954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5172 10.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1258 10.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0633 9.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4755 10.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6656 11.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 10.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5823 10.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6002 9.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7584 9.4657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9116 9.2438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4738 10.0019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3155 9.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9241 9.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8616 9.0860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 9.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0032 9.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 9.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 10.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 8.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 8.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3619 8.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3985 8.6315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5568 8.8722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7099 8.6503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2721 9.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1138 9.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7224 9.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6600 8.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 8.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 9.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9608 9.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 9.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1993 8.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8191 7.8342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0837 8.0269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1685 7.8179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7328 8.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2444 8.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 7.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 7.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 7.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4683 8.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 11.4404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3814 12.0760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5395 12.3161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5487 13.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1507 12.5560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9288 12.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 11.6967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0776 12.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0053 13.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 12.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4779 12.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0810 11.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 11.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7528 11.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2023 12.0047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3605 12.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5137 12.0235 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0759 12.7816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9176 12.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5262 12.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 11.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8759 12.1944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 13.2747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7646 12.7629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9828 13.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0030 11.8657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0110 11.1055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2799 10.8970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5985 10.2513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7491 11.1053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3952 10.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4121 11.5152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 10.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 9.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4801 11.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 105112 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 97133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 140147 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 153158 1 0 0 0 0 M END > LMISSP0504AZ06 > > Fucalpha1-2Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C110H196N4O51 > 2389.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260817 > - > - > Active (generated by computational methods) > - $$$$